2-amino-1-(3-fluoro-2-methylphenyl)ethanol

C9H12FNO — CID 83695306

IUPAC2-amino-1-(3-fluoro-2-methylphenyl)ethanol
SMILESCc1c(F)cccc1C(O)CN
InChIInChI=1S/C9H12FNO/c1-6-7(9(12)5-11)3-2-4-8(6)10/h2-4,9,12H,5,11H2,1H3
InChIKeySWNZSVRECUHPOV-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.13
Rot. Bonds2

About 2-amino-1-(3-fluoro-2-methylphenyl)ethanol

2-amino-1-(3-fluoro-2-methylphenyl)ethanol (PubChem CID 83695306) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-2-methylphenyl)ethanol
PubChem CID83695306
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-amino-1-(3-fluoro-2-methylphenyl)ethanol
SMILESCc1c(F)cccc1C(O)CN
InChIInChI=1S/C9H12FNO/c1-6-7(9(12)5-11)3-2-4-8(6)10/h2-4,9,12H,5,11H2,1H3
InChIKeySWNZSVRECUHPOV-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3-fluoro-2-methylphenyl)butane-1,2-diol
CID 171880803
2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol
CID 117290140
(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine
CID 131199254
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
CID 45072383
3-chloro-1-(3-fluoro-2-methylphenyl)propane-1,2-diol
CID 171861581
(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
CID 130700725
1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 150617333
(1S,2R)-1-amino-1-(3-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-ol
CID 171267756
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321
ethyl (3S)-3-amino-2-fluoro-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247677
(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
1-[(2R)-butan-2-yl]-3-fluoro-2-methylbenzene
CID 139403065

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-fluoro-2-methylphenyl)ethanol (CID 83695306) is 2-amino-1-(3-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-fluoro-2-methylphenyl)ethanol is Cc1c(F)cccc1C(O)CN.
What is the InChIKey of 2-amino-1-(3-fluoro-2-methylphenyl)ethanol?
The InChIKey is SWNZSVRECUHPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6-7(9(12)5-11)3-2-4-8(6)10/h2-4,9,12H,5,11H2,1H3.
What are the key properties of 2-amino-1-(3-fluoro-2-methylphenyl)ethanol?
2-amino-1-(3-fluoro-2-methylphenyl)ethanol has a molecular weight of 169.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 83695306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).